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	hartrees
Energy at 0K	-157.167960
Energy at 298.15K	-157.175814
Nuclear repulsion energy	119.548446

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3165	3028	9.60
2	A₁	3144	3008	20.58
3	A₁	3042	2910	38.81
4	A₁	1751	1675	14.62
5	A₁	1527	1460	11.38
6	A₁	1465	1401	0.70
7	A₁	1433	1371	0.17
8	A₁	1094	1046	4.55
9	A₁	830	794	0.09
10	A₁	375	359	0.32
11	A₂	3091	2957	0.00
12	A₂	1495	1430	0.00
13	A₂	1031	986	0.00
14	A₂	706	675	0.00
15	A₂	170	163	0.00
16	B₁	3094	2960	48.79
17	B₁	1513	1448	17.79
18	B₁	1116	1068	1.24
19	B₁	917	877	47.67
20	B₁	437	418	6.36
21	B₁	210	201	0.65
22	B₂	3245	3105	20.45
23	B₂	3143	3006	23.69
24	B₂	3036	2904	20.21
25	B₂	1509	1444	4.57
26	B₂	1434	1372	9.29
27	B₂	1315	1258	3.79
28	B₂	994	951	0.08
29	B₂	972	930	0.19
30	B₂	435	416	1.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.121
C2	0.000	0.000	1.458
H3	0.000	0.925	2.030
H4	0.000	-0.925	2.030
C5	0.000	1.275	-0.678
C6	0.000	-1.275	-0.678
H7	0.000	2.160	-0.034
H8	0.880	1.329	-1.333
H9	-0.880	1.329	-1.333
H10	0.000	-2.160	-0.034
H11	-0.880	-1.329	-1.333
H12	0.880	-1.329	-1.333

	C1	C2	H3	H4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3363	2.1207	2.1207	1.5043	1.5043	2.1652	2.1578	2.1578	2.1652	2.1578	2.1578
C2	1.3363		1.0877	1.0877	2.4867	2.4867	2.6248	3.2140	3.2140	2.6248	3.2140	3.2140
H3	2.1207	1.0877		1.8505	2.7295	3.4882	2.4046	3.4995	3.4995	3.7115	4.1430	4.1430
H4	2.1207	1.0877	1.8505		3.4882	2.7295	3.7115	4.1430	4.1430	2.4046	3.4995	3.4995
C5	1.5043	2.4867	2.7295	3.4882		2.5492	1.0942	1.0988	1.0988	3.4940	2.8253	2.8253
C6	1.5043	2.4867	3.4882	2.7295	2.5492		3.4940	2.8253	2.8253	1.0942	1.0988	1.0988
H7	2.1652	2.6248	2.4046	3.7115	1.0942	3.4940		1.7756	1.7756	4.3193	3.8252	3.8252
H8	2.1578	3.2140	3.4995	4.1430	1.0988	2.8253	1.7756		1.7598	3.8252	3.1876	2.6577
H9	2.1578	3.2140	3.4995	4.1430	1.0988	2.8253	1.7756	1.7598		3.8252	2.6577	3.1876
H10	2.1652	2.6248	3.7115	2.4046	3.4940	1.0942	4.3193	3.8252	3.8252		1.7756	1.7756
H11	2.1578	3.2140	4.1430	3.4995	2.8253	1.0988	3.8252	3.1876	2.6577	1.7756		1.7598
H12	2.1578	3.2140	4.1430	3.4995	2.8253	1.0988	3.8252	2.6577	3.1876	1.7756	1.7598

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H3	121.719	C1	C2	H4	121.719
C1	C5	H7	111.904	C1	C5	H8	111.028
C1	C5	H9	111.028	C1	C6	H10	111.904
C1	C6	H11	111.028	C1	C6	H12	111.028
C2	C1	C5	122.078	C2	C1	C6	122.078
H3	C2	H4	116.562	C5	C1	C6	115.844
H7	C5	H8	108.122	H7	C5	H9	108.122
H8	C5	H9	106.416	H10	C6	H11	108.122
H10	C6	H12	108.122	H11	C6	H12	106.416

All results from a given calculation for CH₂C(CH₃)CH₃ (1-Propene, 2-methyl-)

using model chemistry: B3PW91/6-31G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken	ESP
1	C	0.208	0.431
2	C	-0.435	-0.642
3	H	0.154	0.205
4	H	0.154	0.205
5	C	-0.567	-0.524
6	C	-0.567	-0.524
7	H	0.176	0.140
8	H	0.175	0.142
9	H	0.175	0.142
10	H	0.176	0.140
11	H	0.175	0.142
12	H	0.175	0.142

	x	y	z	Total
	0.000	0.000	-0.521	0.521
CHELPG
AIM
ESP	0.005	0.000	-0.511	0.511

<r²>	90.698
(<r²>)^1/2	9.524

All results from a given calculation for CH2C(CH3)CH3 (1-Propene, 2-methyl-)

using model chemistry: B3PW91/6-31G*

States and conformations

All results from a given calculation for CH₂C(CH₃)CH₃ (1-Propene, 2-methyl-)